Geometric distortions and Jahn-Teller effects in Bis(terpyridine) metal complexes

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F25%3A00140358" target="_blank" >RIV/00216224:14310/25:00140358 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0022286024023494?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0022286024023494?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molstruc.2024.139840" target="_blank" >10.1016/j.molstruc.2024.139840</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Geometric distortions and Jahn-Teller effects in Bis(terpyridine) metal complexes

Popis výsledku v původním jazyce

All bis(terpyridine)metal complexes exhibit a distorted octahedral geometry due to the steric strain imposed by the terpyridine ligand. In these complexes, the central metal-nitrogen bonds are consistently shorter than the terminal metal-nitrogen bonds, indicating that every bis(terpyridine)metal complex is inherently compressed along the direction of the central metal-nitrogen bonds. However, due to the Jahn-Teller effect, additional geometric distortion and symmetry breaking occur in Jahn-Teller active bis(terpyridine)metal complexes to stabilize the system. Examples include high-spin d4 bis(terpyridine)manganese(III) and d4 bis(terpyridine) chromium(II), high-spin d6 bis(terpyridine)iron(II), low-spin d7 bis(terpyridine)cobalt(II) and bis(terpyridine) nickel(III), and d9 bis(terpyridine)copper(II). Elongation Jahn-Teller distortion in bis(terpyridine)metal complexes occurs along the opposite terminal metal-nitrogen bonds of one of the terpyridine ligands, with the highest symmetry achieved in such elongation Jahn-Teller distorted bis(terpyridine)metal compounds being C2v. Compression Jahn-Teller distortion occurs along the central metal-nitrogen bonds, with the highest symmetry in these compressed bis(terpyridine)metal compounds being D2d, although C2v symmetry is also observed, with the z-axis defined along the central metalnitrogen bonds. Distinguishing between the two possible Jahn-Teller distorted geometries for bis(terpyridine)metal complexes under C2v (or lower) symmetry is not straightforward. This contribution discusses, with examples, experimental and theoretical results reported on Jahn-Teller distortion observed in bis(terpyridine)metal complexes, providing guidelines on how to identify the kind of Jahn-Teller distortion observed.

Název v anglickém jazyce

Geometric distortions and Jahn-Teller effects in Bis(terpyridine) metal complexes

Popis výsledku anglicky

All bis(terpyridine)metal complexes exhibit a distorted octahedral geometry due to the steric strain imposed by the terpyridine ligand. In these complexes, the central metal-nitrogen bonds are consistently shorter than the terminal metal-nitrogen bonds, indicating that every bis(terpyridine)metal complex is inherently compressed along the direction of the central metal-nitrogen bonds. However, due to the Jahn-Teller effect, additional geometric distortion and symmetry breaking occur in Jahn-Teller active bis(terpyridine)metal complexes to stabilize the system. Examples include high-spin d4 bis(terpyridine)manganese(III) and d4 bis(terpyridine) chromium(II), high-spin d6 bis(terpyridine)iron(II), low-spin d7 bis(terpyridine)cobalt(II) and bis(terpyridine) nickel(III), and d9 bis(terpyridine)copper(II). Elongation Jahn-Teller distortion in bis(terpyridine)metal complexes occurs along the opposite terminal metal-nitrogen bonds of one of the terpyridine ligands, with the highest symmetry achieved in such elongation Jahn-Teller distorted bis(terpyridine)metal compounds being C2v. Compression Jahn-Teller distortion occurs along the central metal-nitrogen bonds, with the highest symmetry in these compressed bis(terpyridine)metal compounds being D2d, although C2v symmetry is also observed, with the z-axis defined along the central metalnitrogen bonds. Distinguishing between the two possible Jahn-Teller distorted geometries for bis(terpyridine)metal complexes under C2v (or lower) symmetry is not straightforward. This contribution discusses, with examples, experimental and theoretical results reported on Jahn-Teller distortion observed in bis(terpyridine)metal complexes, providing guidelines on how to identify the kind of Jahn-Teller distortion observed.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Molecular Structure

ISSN

0022-2860

e-ISSN

—

Svazek periodika

1321

Číslo periodika v rámci svazku

February 2025

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

18

Strana od-do

1-18

Kód UT WoS článku

001308342900001

EID výsledku v databázi Scopus

2-s2.0-85202819076